tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate

C13H22N4O2 — CID 145108987

IUPACtert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
SMILESCn1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-5-6-15(4)14-11/h5-6H,7-10H2,1-4H3
InChIKeyRUYVMAYFDNUXFE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.48
Rot. Bonds1

About tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate

tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate (PubChem CID 145108987) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
PubChem CID145108987
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
SMILESCn1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-5-6-15(4)14-11/h5-6H,7-10H2,1-4H3
InChIKeyRUYVMAYFDNUXFE-UHFFFAOYSA-N
XLogP1.48
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 3-(1-methylpyrazol-3-yl)-2-oxoimidazolidine-1-carboxylate
CID 118060737
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
CID 163353157
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]piperazine-1-carboxylate
CID 168964916
tert-butyl 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
CID 102033866
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate (CID 145108987) is tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate is Cn1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate?
The InChIKey is RUYVMAYFDNUXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-5-6-15(4)14-11/h5-6H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 145108987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).